Memory-efficient, accelerated protein interaction inference with blocked, multi-GPU D-SCRIPT

利用分块多GPU D-SCRIPT实现内存高效、加速的蛋白质相互作用推断

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Abstract

SUMMARY: D-SCRIPT is a powerful tool for high-throughput inference of protein-protein interactions (PPIs), but it is expensive in time and memory to infer all PPIs for network-/proteome-level analyses. We introduce D-SCRIPT with blocked multi-GPU parallel inference, which substantially reduces memory usage across tasks and computational systems (13.8× for a representative large proteome) and enables multi-GPU parallelism. AVAILABILITY AND IMPLEMENTATION: Blocked multi-GPU parallel inference has been integrated into the main D-SCRIPT package, available at https://github.com/samsledje/D-SCRIPT. An archived version of the code at time of submission can be found at https://doi.org/10.5281/zenodo.16325182.

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